9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

C17H11FN2O2S2 — CID 67388239

IUPAC9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1c(-c3cccs3)c(F)ccc1n2C1CC1
InChIInChI=1S/C17H11FN2O2S2/c18-9-5-6-10-13(12(9)11-2-1-7-23-11)15(21)14-16(22)19-24-17(14)20(10)8-3-4-8/h1-2,5-8H,3-4H2,(H,19,22)
InChIKeyOJIMDIYIKWESOI-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.11
Rot. Bonds2

About 9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 67388239) has the molecular formula C17H11FN2O2S2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID67388239
Molecular FormulaC17H11FN2O2S2
Molecular Weight358.42 g/mol
Exact Mass358.02
IUPAC Name9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1c(-c3cccs3)c(F)ccc1n2C1CC1
InChIInChI=1S/C17H11FN2O2S2/c18-9-5-6-10-13(12(9)11-2-1-7-23-11)15(21)14-16(22)19-24-17(14)20(10)8-3-4-8/h1-2,5-8H,3-4H2,(H,19,22)
InChIKeyOJIMDIYIKWESOI-UHFFFAOYSA-N
XLogP4.11
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 67388239) is 9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]sc2c1c(=O)c1c(-c3cccs3)c(F)ccc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is OJIMDIYIKWESOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2S2/c18-9-5-6-10-13(12(9)11-2-1-7-23-11)15(21)14-16(22)19-24-17(14)20(10)8-3-4-8/h1-2,5-8H,3-4H2,(H,19,22).
What are the key properties of 9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 358.42 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6-fluoro-5-thiophen-2-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 67388239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).